Pyrimidine-5-carboxaldehyde
TL;DR: Pyrimidine-5-carboxaldehyde (CAS 100700-13-8) is a chemical compound with molecular formula C5H4N2O and molecular weight 108.032364 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyrimidine-5-carbaldehyde
Also Known As: Pyrimidine-5-carbaldehyde, Pyrimidine-5-carboxaldehyde, 5-formylpyrimidine, 5-PYRIMIDINECARBOXALDEHYDE, null
Technical Specifications
| Molecular Formula | C5H4N2O |
| Molecular Weight | 108.032364 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 42.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 108.032364 Da |
| Heavy Atoms | 8 |
| Complexity | 78.0 |
| SMILES | C1=C(C=NC=N1)C=O |
| InChIKey | FREJAOSUHFGDBW-UHFFFAOYSA-N |
Chemical Property Profile of Pyrimidine-5-carboxaldehyde
Property Insights of Pyrimidine-5-carboxaldehyde
The XLogP value of -0.3 indicates that Pyrimidine-5-carboxaldehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.9 Ų, Pyrimidine-5-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine-5-carboxaldehyde has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pyrimidine-5-carboxaldehyde?
The CAS number of Pyrimidine-5-carboxaldehyde is 100700-13-8.
What is the molecular formula of Pyrimidine-5-carboxaldehyde?
The molecular formula of Pyrimidine-5-carboxaldehyde is C5H4N2O.
What is the molecular weight of Pyrimidine-5-carboxaldehyde?
The molecular weight of Pyrimidine-5-carboxaldehyde is 108.032364 g/mol.
Where can I buy Pyrimidine-5-carboxaldehyde?
You can request a quote for Pyrimidine-5-carboxaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrimidine-5-carboxaldehyde?
Yes, CoreyChem provides custom synthesis services for Pyrimidine-5-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.